4-ethyl-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Chemical Structure Depiction of
4-ethyl-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
4-ethyl-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Compound characteristics
| Compound ID: | 5218-3137 |
| Compound Name: | 4-ethyl-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one |
| Molecular Weight: | 436.62 |
| Molecular Formula: | C25 H32 N4 O S |
| Smiles: | CCCCCSc1nnc2N(CC)C(C3=C(c4ccccc4CC34CCCCC4)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3663 |
| logD: | 6.3663 |
| logSw: | -5.4448 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.655 |
| InChI Key: | LUFFIMAMIHSABL-UHFFFAOYSA-N |